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5XIE
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BU of 5xie by Molmil
Crystal Structure of HasAp with 5-ethynyl-10,20-diphenylporphyrin
Descriptor: 5-Ethynyl-10,20-diphenylporphyrin containing FE, Heme acquisition protein HasAp
Authors:Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y.
Deposit date:2017-04-26
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group
Angew. Chem. Int. Ed. Engl., 56, 2017
3WYL
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BU of 3wyl by Molmil
Crystal structure of the catalytic domain of PDE10A complexed with 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one
Descriptor: 5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Oki, H, Hayano, Y.
Deposit date:2014-09-01
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.
J.Med.Chem., 57, 2014
8JNA
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BU of 8jna by Molmil
CRAF ras-binding domain chimera, apo form
Descriptor: RAF proto-oncogene serine/threonine-protein kinase, CRaf
Authors:Kawamura, T, Kumasaka, T.
Deposit date:2023-06-06
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
8JNB
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BU of 8jnb by Molmil
CRAF ras-binding domain chimera, ligand complex
Descriptor: 2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide, RAF proto-oncogene serine/threonine-protein kinase, CRaf
Authors:Kawamura, T, Kumasaka, T.
Deposit date:2023-06-06
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
8JOG
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BU of 8jog by Molmil
solution structure of Ras Binding Domein (RBD) in C-RAF with negative allosteric modulator.
Descriptor: RAF proto-oncogene serine/threonine-protein kinase
Authors:Makino, Y, Matsumoto, S, Yoshikawa, Y, Kawamura, T, Kumasaka, T, Shima, F.
Deposit date:2023-06-07
Release date:2024-06-12
Method:SOLUTION NMR
Cite:Small-molecule RAS/RAF-binding Inhibitors Allosterically Disrupt RAF Conformation and Exert Efficacy Against Broad-spectrum RAS-driven Cancers
To Be Published
3WYM
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BU of 3wym by Molmil
Crystal structure of the catalytic domain of PDE10A complexed with 1-(2-fluoro-4-(1H-pyrazol-1-yl)phenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one
Descriptor: 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Oki, H, Hayano, Y.
Deposit date:2014-09-01
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.
J.Med.Chem., 57, 2014
3WYK
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BU of 3wyk by Molmil
Crystal structure of the catalytic domain of PDE10A complexed with 3-(1-phenyl-1H-pyrazol-5-yl)-1-(3-(trifluoromethyl)phenyl)pyridazin-4(1H)-one
Descriptor: 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ...
Authors:Oki, H, Hayano, Y.
Deposit date:2014-09-01
Release date:2014-11-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of 1-[2-fluoro-4-(1H-pyrazol-1-yl)phenyl]-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one (TAK-063), a highly potent, selective, and orally active phosphodiesterase 10A (PDE10A) inhibitor.
J.Med.Chem., 57, 2014
5XQY
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BU of 5xqy by Molmil
Structure of monomeric mutant of REI immunoglobulin light chain variable domain crystallized at pH 8
Descriptor: Immunoglobulin kappa variable 1D-33
Authors:Mine, S, Nakamura, T, Uegaki, K, Hamada, D.
Deposit date:2017-06-07
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Heat-induced native dimerization prevents amyloid formation by variable domain from immunoglobulin light-chain REI
FEBS J., 284, 2017
5XP1
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BU of 5xp1 by Molmil
Structure of monomeric mutant of REI immunoglobulin light chain variable domain crystallized at pH 6
Descriptor: Immunoglobulin kappa variable 1D-33
Authors:Mine, S, Nakamura, T, Uegaki, K, Hamada, D.
Deposit date:2017-05-31
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Heat-induced native dimerization prevents amyloid formation by variable domain from immunoglobulin light-chain REI
FEBS J., 284, 2017
2ZOI
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BU of 2zoi by Molmil
Neutron Crystal Structure of Photoactive Yellow Protein, Wild type, at 295K
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Yamaguchi, S.
Deposit date:2008-05-21
Release date:2009-03-24
Last modified:2023-11-01
Method:NEUTRON DIFFRACTION (1.5 Å)
Cite:Low-barrier hydrogen bond in photoactive yellow protein
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZOH
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BU of 2zoh by Molmil
X-ray Crystal Structure of Photoactive Yellow Protein, Wild type, at 295K
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Yamaguchi, S.
Deposit date:2008-05-20
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Low-barrier hydrogen bond in photoactive yellow protein
Proc.Natl.Acad.Sci.USA, 106, 2009
2DWX
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BU of 2dwx by Molmil
Co-crystal Structure Analysis of GGA1-GAE with the WNSF motif
Descriptor: ADP-ribosylation factor-binding protein GGA1, hinge peptide from ADP-ribosylation factor binding protein GGA1
Authors:Inoue, M, Shiba, T, Yamada, Y, Ihara, K, Kawasaki, M, Kato, R, Nakayama, K, Wakatsuki, S.
Deposit date:2006-08-21
Release date:2007-04-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Molecular Basis for Autoregulatory Interaction Between GAE Domain and Hinge Region of GGA1
Traffic, 8, 2007
2DWY
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BU of 2dwy by Molmil
Crystal Structure Analysis of GGA1-GAE
Descriptor: ADP-RIBOSYLATION FACTOR BINDING PROTEIN GGA1
Authors:Inoue, M, Shiba, T, Yamada, Y, Ihara, K, Kawasaki, M, Kato, R, Nakayama, K, Wakatsuki, S.
Deposit date:2006-08-21
Release date:2007-04-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Basis for Autoregulatory Interaction Between GAE Domain and Hinge Region of GGA1
Traffic, 8, 2007
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